N-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide

C15H21N3O4S — CID 3256250

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1OC
InChIInChI=1S/C15H21N3O4S/c1-15(2,3)13-9-14(17-16-13)18-23(19,20)10-6-7-11(21-4)12(8-10)22-5/h6-9H,1-5H3,(H2,16,17,18)
InChIKeyAOTBLFPCZSMLBA-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.53
Rot. Bonds5

About N-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 3256250) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide
PubChem CID3256250
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1OC
InChIInChI=1S/C15H21N3O4S/c1-15(2,3)13-9-14(17-16-13)18-23(19,20)10-6-7-11(21-4)12(8-10)22-5/h6-9H,1-5H3,(H2,16,17,18)
InChIKeyAOTBLFPCZSMLBA-UHFFFAOYSA-N
XLogP2.53
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide
CID 3830785
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616993
N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 3288654
N-(5-tert-butyl-1H-pyrazol-3-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
CID 56793124
3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394362
N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide
CID 112695660
N-tert-butyl-3,4-dimethoxybenzenesulfonamide
CID 795187
3,4-dimethoxy-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 24995120
N-(4-ethyl-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
CID 2812403
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide
CID 71671387
methyl N-[(5-tert-butyl-1H-pyrazol-3-yl)sulfamoyl]carbamate
CID 114464571

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide (CID 3256250) is N-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1OC.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is AOTBLFPCZSMLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-15(2,3)13-9-14(17-16-13)18-23(19,20)10-6-7-11(21-4)12(8-10)22-5/h6-9H,1-5H3,(H2,16,17,18).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 3256250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).